4-methyl-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]pyrido[3,4-b]pyrazin-3-one

C18H19N5O2S — CID 53194578

IUPAC4-methyl-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]pyrido[3,4-b]pyrazin-3-one
SMILESCn1c(=O)c(N2CCN(C(=O)Cc3cccs3)CC2)nc2ccncc21
InChIInChI=1S/C18H19N5O2S/c1-21-15-12-19-5-4-14(15)20-17(18(21)25)23-8-6-22(7-9-23)16(24)11-13-3-2-10-26-13/h2-5,10,12H,6-9,11H2,1H3
InChIKeyRTRXCNLFVXKNOO-UHFFFAOYSA-N
MW369.45 g/mol
LogP1.28
Rot. Bonds3

About 4-methyl-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]pyrido[3,4-b]pyrazin-3-one

4-methyl-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]pyrido[3,4-b]pyrazin-3-one (PubChem CID 53194578) has the molecular formula C18H19N5O2S and a molecular weight of 369.45 g/mol. Its IUPAC name is 4-methyl-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]pyrido[3,4-b]pyrazin-3-one.

Molecular Properties

Compound Name4-methyl-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]pyrido[3,4-b]pyrazin-3-one
PubChem CID53194578
Molecular FormulaC18H19N5O2S
Molecular Weight369.45 g/mol
Exact Mass369.13
IUPAC Name4-methyl-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]pyrido[3,4-b]pyrazin-3-one
SMILESCn1c(=O)c(N2CCN(C(=O)Cc3cccs3)CC2)nc2ccncc21
InChIInChI=1S/C18H19N5O2S/c1-21-15-12-19-5-4-14(15)20-17(18(21)25)23-8-6-22(7-9-23)16(24)11-13-3-2-10-26-13/h2-5,10,12H,6-9,11H2,1H3
InChIKeyRTRXCNLFVXKNOO-UHFFFAOYSA-N
XLogP1.28
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-methyl-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]pyrido[3,4-b]pyrazin-3-one with MolForge

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Related Compounds

4-methyl-2-[4-(3-phenylpropanoyl)piperazin-1-yl]pyrido[3,4-b]pyrazin-3-one
CID 53194606
2-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one
CID 53194575
2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one
CID 53194609
2-thiophen-2-yl-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110364980
2-[4-[2-(3,4-difluorophenoxy)acetyl]piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one
CID 53194614
1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-2-thiophen-2-ylethanone
CID 70787649
3,3-dimethyl-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]butan-1-one
CID 110818286
1-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]-2-thiophen-2-ylethanone
CID 154581669
1-(3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridin-2-yl)-2-thiophen-2-ylethanone
CID 24732768
1-(6-hydroxy-4-pyridin-4-yl-1,4-diazepan-1-yl)-2-thiophen-2-ylethanone
CID 74234917
1-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]-2-thiophen-2-ylethanone
CID 110798609
1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-2-thiophen-2-ylethanone
CID 42111036

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]pyrido[3,4-b]pyrazin-3-one?
The IUPAC name of 4-methyl-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]pyrido[3,4-b]pyrazin-3-one (CID 53194578) is 4-methyl-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]pyrido[3,4-b]pyrazin-3-one.
What is the SMILES notation for 4-methyl-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]pyrido[3,4-b]pyrazin-3-one?
The canonical SMILES for 4-methyl-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]pyrido[3,4-b]pyrazin-3-one is Cn1c(=O)c(N2CCN(C(=O)Cc3cccs3)CC2)nc2ccncc21.
What is the InChIKey of 4-methyl-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]pyrido[3,4-b]pyrazin-3-one?
The InChIKey is RTRXCNLFVXKNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S/c1-21-15-12-19-5-4-14(15)20-17(18(21)25)23-8-6-22(7-9-23)16(24)11-13-3-2-10-26-13/h2-5,10,12H,6-9,11H2,1H3.
What are the key properties of 4-methyl-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]pyrido[3,4-b]pyrazin-3-one?
4-methyl-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]pyrido[3,4-b]pyrazin-3-one has a molecular weight of 369.45 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]pyrido[3,4-b]pyrazin-3-one is sourced from PubChem (CID 53194578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).